Molecule

ID:26921

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClNO₂
Molecular Mass
199.6342
Exact Mass
199.04000625
Charge
0
InChI
InChI=1S/C9H10ClNO2/c1-13-8-5-3-2-4-7(8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
InChIKey
IBXYYSDKRPMGKD-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1ccccc1OC
Isomeric Smiles
N(c1c(OC)cccc1)C(=O)CCl
Calculated Properties
JChem
Acid pKa
12.001153
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5906286
LogD (pH = 7.4)
1.5906184
Log P
1.5906287
Molar Refractivity
52.1374
Polarizability
19.585701
Polar Surface Area
38.33
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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